| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1-ethylimidazol-2-yl)methyl]…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.35 | 8.64 | -89.56 | 3 | 4 | 2 | 39 | 258.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 6.85 | -8.86 | 1 | 4 | 0 | 33 | 256.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 8.12 | -50.32 | 2 | 4 | 1 | 38 | 257.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
